(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate

C17H15ClN2O2S — CID 55522061

IUPAC(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(C)c(C(=O)OCc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C17H15ClN2O2S/c1-9-14-10(2)19-11(3)20-16(14)23-15(9)17(21)22-8-12-4-6-13(18)7-5-12/h4-7H,8H2,1-3H3
InChIKeyARNHLQZZKVVHBY-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.63
Rot. Bonds3

About (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate

(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 55522061) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID55522061
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(C)c(C(=O)OCc3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C17H15ClN2O2S/c1-9-14-10(2)19-11(3)20-16(14)23-15(9)17(21)22-8-12-4-6-13(18)7-5-12/h4-7H,8H2,1-3H3
InChIKeyARNHLQZZKVVHBY-UHFFFAOYSA-N
XLogP4.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33282949
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24650238
ethyl 2-[(4-chlorophenoxy)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 14572217
methyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2475625
2-phenoxyethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28890372
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43056996
(1-phenylpyrazol-4-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24686634
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
benzyl 5-methyl-4-oxo-2-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 28868209
2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 46578396
N-[3-[4-(dimethylamino)phenyl]propyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 37271657
ethyl 4-(3,4-difluorophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26454856

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 55522061) is (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(C)c2c(C)c(C(=O)OCc3ccc(Cl)cc3)sc2n1.
What is the InChIKey of (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ARNHLQZZKVVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-9-14-10(2)19-11(3)20-16(14)23-15(9)17(21)22-8-12-4-6-13(18)7-5-12/h4-7H,8H2,1-3H3.
What are the key properties of (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate?
(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 346.84 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 55522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).